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Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods
Windows, Linux, OS X; SVL programming language Build, edit and visualise small molecules, macromolecules, protein-ligand complexes, crystal lattices, molecular and property surfaces. Platform for extensive collection of molecular modelling / drug discovery applications.
NEST - open-source software for spiking neural network models. NetLogo - an open-source multi-agent simulation software. ns-3 - an open-source network simulator. OpenFOAM - open-source software used for computational fluid dynamics (or CFD). OpenModelica - an open source modeling environment based on Modelica the open standard for modeling ...
This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.
A Nicholson model, showing a short part of protein backbone (white) with side chains (grey). Note the snipped stubs representing hydrogen atoms. A good example of composite models is the Nicholson approach, widely used from the late 1970s for building models of biological macromolecules.
1.2 Chemistry. 1.3 Children's software. ... Download as PDF; Printable version ... This is a list of educational software that is computer software whose primary ...
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
The name originated from ava (the programming language) + [mol]ecules, and also the mol file format. JSmol is an implementation in JavaScript of the functionality of Jmol. [ 4 ] It can hence be embedded in web pages to display interactive 3D models of molecules and other structures without the need for any software apart from the web browser ...